| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:27:32 UTC |
|---|
| Update Date | 2025-03-21 18:40:04 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00128355 |
|---|
| Frequency | 19.9 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H16O9S |
|---|
| Molecular Mass | 336.0515 |
|---|
| SMILES | O=C(CCC(O)OCOS(=O)(=O)O)Cc1ccc(O)c(O)c1 |
|---|
| InChI Key | KBHQMDWNNUTDIM-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | phenols |
|---|
| Subclass | 1-hydroxy-2-unsubstituted benzenoids |
|---|
| Direct Parent | 1-hydroxy-2-unsubstituted benzenoids |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-4-unsubstituted benzenoidsalkyl sulfatesbenzene and substituted derivativeshemiacetalshydrocarbon derivativesketonesorganic oxidessulfuric acid monoesters |
|---|
| Substituents | monocyclic benzene moietysulfuric acid monoestercarbonyl grouporganic sulfuric acid or derivatives1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidketonearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundalkyl sulfatesulfate-esterhemiacetalhydrocarbon derivativesulfuric acid esterorganooxygen compound |
|---|
